76543-15-2 (2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-,2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-)

快速询单

结构式：

2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-MOL文件

CAS号：

76543-15-2

中文名称：

2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-

英文名称：

2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-

分子式：

C₁₈H₁₈O₄

分子量：

298.333125591278

2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-(76543-15-2)名称与标识符

名称

英文别名：

2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-;2,3-bis(3'-hydroxybenzyl)butyrolactone;dihydro-3,4-bis((3-hydroxyphenyl)methyl)-2(3H)-Furanone;918502-72-4;DTXSID10861008;76543-15-2;2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-;HPMF;FT-0667869;BDBM50250487;SCHEMBL2002596;trans-2,3-Bis(3-hydroxybenzyl)-gamma-butyrolactone;Enterolactone;2,3-bis-(3-hydroxybenzyl)butan-4-olide;CHEMBL465152;BHMDF;FT-0667870;(+/-)-Enterolactone -13C3;3,4-Bis((3-hydroxyphenyl)methyl)dihydro-2-(3H)-furanone;3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one;(+/-)-enterolactone;2,3-Bhbb;

标识符

InChIKey：

HVDGDHBAMCBBLR-UHFFFAOYSA-N

Inchi：

1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2

SMILES：

O1C(C(CC2C=CC=C(C=2)O)C(CC2C=CC=C(C=2)O)C1)=O

2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-(76543-15-2)物化性质

实验特性

PSA : 66.76

计算特性

精确分子量 : 298.12054
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 4
同位素质量 : 298.12050905g/mol
重原子数量 : 22
复杂度 : 383
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.3
拓扑分子极性表面积 : 66.8Å²

2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-(76543-15-2)相关文献

1. Metabolism of secoisolariciresinol-diglycoside the dietary precursor to the intestinally derived lignan enterolactone in humans
Kenneth D. R. Setchell,Nadine M. Brown,Linda Zimmer-Nechemias,Brian Wolfe,Pinky Jha,James E. Heubi Food Funct. 2014 5 491
2. Purified recombinant enzymes efficiently hydrolyze conjugated urinary (poly)phenol metabolites
Jacob Lessard-Lord,Pier-Luc Plante,Yves Desjardins Food Funct. 2022 13 10895
3. Occurrence of phytoestrogens in municipal wastewater and surface waters
Jinguo Kang,William E. Price J. Environ. Monit. 2009 11 1477
4. Bioavailability and metabolism of hydroxycinnamates in rats fed with durum wheat aleurone fractions
Luca Calani,Fay?al Ounnas,Patricia Salen,Christine Demeilliers,Letizia Bresciani,Francesca Scazzina,Furio Brighenti,Camilla Melegari,Alan Crozier,Michel de Lorgeril,Daniele Del Rio Food Funct. 2014 5 1738
5. Structural analysis of the urinary lignan 2,3-bis-(3-hydroxybenzyl)butan-4-olide (‘enterolactone’). A 400 MHz nuclear magnetic resonance study for the solution state and X-ray study for the crystal state
George Cooley,R. Duncan Farrant,David N. Kirk,Shailesh Patel,Steven Wynn,Malcolm J. Buckingham,Geoffrey E. Hawkes,Michael B. Hursthouse,Anita M. R. Galas,Alexander M. Lawson,Kenneth D. R. Setchell J. Chem. Soc. Perkin Trans. 2 1984 489
6. Binding of enterolactone and enterodiol to human serum albumin: increase of cysteine-34 thiol group reactivity
Marija M. Taki?,Vesna B. Jovanovi?,Ivan D. Pavi?evi?,Tamara N. Uzelac,Jelena M. A?imovi?,Danijela K. Risti?-Medi?,Ljuba M. Mandi? Food Funct. 2016 7 1217
7. Phytochemicals as modifiers of gut microbial communities
Giulia Dingeo,Alex Brito,Hanen Samouda,Mohammed Iddir,Michael R. La Frano,Torsten Bohn Food Funct. 2020 11 8444
8. Synthesis of the [2H]-labelled urinary lignans enterolactone and enterodiol
David N. Kirk,Leo M. McLaughlin,Alexander M. Lawson,Kenneth D. R. Setchell,Shailesh K. Patel J. Chem. Soc. Perkin Trans. 1 1985 35
9. Synthesis of the [2H]-labelled urinary lignans, enterolactone and enterodiol, and the phytoestrogen daidzein and its metabolites equol and O-demethyl-angolensin
Kristiina W?h?l?,Taru M?kel?,Reijo B?ckstr?m,G?sta Brunow,Tapio Hase J. Chem. Soc. Perkin Trans. 1 1986 95
10. In vitro gastrointestinal bioaccessibility and colonic fermentation of lignans from fresh, fermented, and germinated flaxseed
Umi Kalsum Hussain Zaki,Christos Fryganas,Laura Trijsburg,Edith J. M. Feskens,Edoardo Capuano Food Funct. 2022 13 10737

114672-06-9(缬沙坦-d9溴化物) 187993-26-6(头孢匹林钠) 117872-27-2(3,4-bis[(4-hydroxyphenyl)methyl]oxolan-2-one) 118528-01-1(4-[(4-methoxyphenyl)methyl]oxolan-2-one) 78473-71-9(肠内酯(P)) 79669-11-7(3-(4-Isopropoxyphenyl)propanoic acid) 796844-14-9(4-[2,4-双(三氟甲基)苄氧基]-3-甲氧基苯甲醛) 794522-91-1(3-(1,2,4-triazol-1-yl)propan-1-amine;hydrochloride)

问答

960化工网为您提供2（3H）-呋喃酮，二氢-3,4-双[（3-羟基苯基）甲基]-专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.76543-15-2,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:76543-15-2 国际站:76543-15-2